Chembase list of 866358 unique molecular structures

(1S,3S)-3-(trifluoromethyl)cyclohexan-1-amine

$$$$ Data

M. F.

C7H12F3N

Suppliers	Catalog Number
Enamine	EN300-82702

Database	Data ID
PubChem	40799877

M. W.

167.1720896

CAS

Similarity

N/A

ID: 277802

(1s,4s)-4-(trifluoromethyl)cyclohexan-1-amine

$$$$ Data

M. F.

C7H12F3N

Suppliers	Catalog Number
Enamine	EN300-82703

Database	Data ID
PubChem	13714353

M. W.

167.1720896

CAS

Similarity

N/A

ID: 277803

(1r,4r)-4-(trifluoromethyl)cyclohexan-1-amine

$$$$ Data

M. F.

C7H12F3N

Suppliers	Catalog Number
Enamine	EN300-82705

Database	Data ID
PubChem	13714353

M. W.

167.1720896

CAS

Similarity

N/A

ID: 277804

2,4-diamino-5,5,5-trifluoropentanoic acid

$$$$ Data

M. F.

C5H9F3N2O2

Suppliers	Catalog Number
Enamine	EN300-82706

Database	Data ID
PubChem	54594758

M. W.

186.1323696

CAS

Similarity

N/A

ID: 277805

3-oxa-6-azabicyclo[3.1.1]heptane

$$$$ Data

M. F.

C5H9NO

Suppliers	Catalog Number
Enamine	EN300-82707

Database	Data ID
PubChem	54594759

M. W.

99.13106

CAS

Similarity

N/A

ID: 277806

2-oxa-5-azabicyclo[2.2.1]heptane

$$$$ Data

M. F.

C5H9NO

Suppliers	Catalog Number
Enamine	EN300-82708

Database	Data ID
PubChem	3614551

M. W.

99.13106

CAS

Similarity

N/A

ID: 277807

8-oxa-3-azabicyclo[3.2.1]octane

$$$$ Data

M. F.

C6H11NO

Suppliers	Catalog Number
Enamine	EN300-82709
A&J Pharmtech	AJA-O20787

Database	Data ID
PubChem	12069231

M. W.

113.15764

CAS

280-13-7

Similarity

N/A

ID: 277808

6-oxa-8-azabicyclo[3.2.2]nonane

$$$$ Data

M. F.

C7H13NO

Suppliers	Catalog Number
Enamine	EN300-82711

Database	Data ID
PubChem	54594760

M. W.

127.18422

CAS

Similarity

N/A

ID: 277809

9-oxa-3-azabicyclo[3.3.1]nonane

$$$$ Data

M. F.

C7H13NO

Suppliers	Catalog Number
Enamine	EN300-82712

Database	Data ID
PubChem	54594761

M. W.

127.18422

CAS

Similarity

N/A

ID: 277810

3-oxa-9-azabicyclo[3.3.1]nonane

$$$$ Data

M. F.

C7H13NO

Suppliers	Catalog Number
ChemBridge	4003104
Enamine	EN300-82713

Database	Data ID
PubChem	15235176

M. W.

127.18422

CAS

280-99-9

Similarity

N/A

ID: 277811

3,9-dioxa-7-azabicyclo[3.3.1]nonane

$$$$ Data

M. F.

C6H11NO2

Suppliers	Catalog Number
Enamine	EN300-82714

Database	Data ID
PubChem	54594762

M. W.

129.15704

CAS

Similarity

N/A

ID: 277812

2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one

$$$$ Data

M. F.

C11H12O2

Suppliers	Catalog Number
Enamine	EN300-82715
A&J Pharmtech	AJA-O17221

Database	Data ID
PubChem	7454290

M. W.

176.21178

CAS

3780-33-4

Similarity

N/A

ID: 277813

3-(4-methylpiperidin-1-yl)aniline

$$$$ Data

M. F.

C12H18N2

Suppliers	Catalog Number
Enamine	EN300-82719

Database	Data ID
PubChem	43132674

M. W.

190.28472

CAS

Similarity

N/A

ID: 277814

4-(azidomethyl)-1,2-dichlorobenzene

$$$$ Data

M. F.

C7H5Cl2N3

Suppliers	Catalog Number
Enamine	EN300-82721

Database	Data ID
PubChem	15065218

M. W.

202.0407

CAS

Similarity

N/A

ID: 277815

4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoic acid

$$$$ Data

M. F.

C9H12N2O3

Suppliers	Catalog Number
Enamine	EN300-82722

Database	Data ID
PubChem	29078379

M. W.

196.20318

CAS

Similarity

N/A

ID: 277816

3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoic acid

$$$$ Data

M. F.

C8H10N2O3

Suppliers	Catalog Number
Enamine	EN300-82723

Database	Data ID
PubChem	43150101

M. W.

182.1766

CAS

Similarity

N/A

ID: 277817

3-(2,5-dihydro-1H-pyrrol-1-yl)benzoic acid

$$$$ Data

M. F.

C11H11NO2

Suppliers	Catalog Number
Enamine	EN300-82724

Database	Data ID
PubChem	53621907

M. W.

189.21054

CAS

Similarity

N/A

ID: 277818

2-(1-ethoxyethyl)-1,3-thiazole-4-carboxylic acid

$$$$ Data

M. F.

C8H11NO3S

Suppliers	Catalog Number
Enamine	EN300-82725

Database	Data ID
PubChem	53621909

M. W.

201.24284

CAS

Similarity

N/A

ID: 277819

2-(dichloromethyl)-5-phenyl-1,3,4-oxadiazole

$$$$ Data

M. F.

C9H6Cl2N2O

Suppliers	Catalog Number
Enamine	EN300-82726

Database	Data ID
PubChem	13369494

M. W.

229.06274

CAS

Similarity

N/A

ID: 277820

N'-(2,2-dichloroacetyl)benzohydrazide

$$$$ Data

M. F.

C9H8Cl2N2O2

Suppliers	Catalog Number
Enamine	EN300-82727

Database	Data ID
PubChem	456722

M. W.

247.07802

CAS

Similarity

N/A

ID: 277821

3-bromo-1-(4-chlorophenyl)pyrrolidin-2-one

$$$$ Data

M. F.

C10H9BrClNO

Suppliers	Catalog Number
Enamine	EN300-82729

Database	Data ID
PubChem	54594763

M. W.

274.54156

CAS

Similarity

N/A

ID: 277822

3-[(propan-2-yl)amino]phenol

$$$$ Data

M. F.

C9H13NO

Suppliers	Catalog Number
Enamine	EN300-82730

Database	Data ID
PubChem	90115

M. W.

151.20562

CAS

Similarity

N/A

ID: 277823

N-methyl-1H-pyrazole-4-sulfonamide

$$$$ Data

M. F.

C4H7N3O2S

Suppliers	Catalog Number
Enamine	EN300-82731

Database	Data ID
PubChem	54594764

M. W.

161.18228

CAS

Similarity

N/A

ID: 277824

2-(methylsulfanyl)-2-phenylacetic acid

$$$$ Data

M. F.

C9H10O2S

Suppliers	Catalog Number
Enamine	EN300-82732

Database	Data ID
PubChem	12950183

M. W.

182.2395

CAS

Similarity

N/A

ID: 277825

1,2-bis(4-methylphenyl)ethan-1-one

$$$$ Data

M. F.

C16H16O

Suppliers	Catalog Number
Enamine	EN300-82733

Database	Data ID
PubChem	12503900

M. W.

224.29764

CAS

Similarity

N/A

ID: 277826

1-cyclopropyl-5-(propan-2-yl)-1H-imidazole-2-thiol

$$$$ Data

M. F.

C9H14N2S

Suppliers	Catalog Number
Enamine	EN300-82735

Database	Data ID
PubChem	54594765

M. W.

182.28586

CAS

Similarity

N/A

ID: 277827

1,5-bis(propan-2-yl)-1H-imidazole-2-thiol

$$$$ Data

M. F.

C9H16N2S

Suppliers	Catalog Number
Enamine	EN300-82736

Database	Data ID
PubChem	54594766

M. W.

184.30174

CAS

Similarity

N/A

ID: 277828

1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylic acid

$$$$ Data

M. F.

C10H6F3N3O2

Suppliers	Catalog Number
Enamine	EN300-82737
A&J Pharmtech	AJA-O19792

Database	Data ID
PubChem	13900185

M. W.

257.1687496

CAS

Similarity

N/A

ID: 277829

4-aminocinnoline-3-carbonitrile

$$$$ Data

M. F.

C9H6N4

Suppliers	Catalog Number
Enamine	EN300-82747

Database	Data ID
PubChem	395917

M. W.

170.17074

CAS

Similarity

N/A

ID: 277830

1-(1-phenylethyl)piperidin-4-one

$$$$ Data

M. F.

C13H17NO

Suppliers	Catalog Number
Enamine	EN300-82749

Database	Data ID
PubChem	11959627

M. W.

203.28018

CAS

Similarity

N/A

ID: 277831

4-ethoxy-N-methylaniline

$$$$ Data

M. F.

C9H13NO

Suppliers	Catalog Number
Enamine	EN300-82750

Database	Data ID
PubChem	579022

M. W.

151.20562

CAS

Similarity

N/A

ID: 277832

8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-one

$$$$ Data

M. F.

C9H14O2

Suppliers	Catalog Number
Enamine	EN300-82751

Database	Data ID
PubChem	522428

M. W.

154.20626

CAS

Similarity

N/A

ID: 277833

methyl 2-(4-bromophenyl)-2-[(2-methoxyethyl)amino]propanoate

$$$$ Data

M. F.

C13H18BrNO3

Suppliers	Catalog Number
Enamine	EN300-82752

Database	Data ID
PubChem	53619935

M. W.

316.19092

CAS

Similarity

N/A

ID: 277834

methyl N-(2-oxoethyl)-N-phenylcarbamate

$$$$ Data

M. F.

C10H11NO3

Suppliers	Catalog Number
Enamine	EN300-82754

Database	Data ID
PubChem	11435472

M. W.

193.19924

CAS

Similarity

N/A

ID: 277835

2-(1,3-thiazol-2-yl)butan-2-amine

$$$$ Data

M. F.

C7H12N2S

Suppliers	Catalog Number
Enamine	EN300-82755

Database	Data ID
PubChem	53534946

M. W.

156.24858

CAS

Similarity

N/A

ID: 277836

4-[(cyclopentyloxy)methyl]aniline

$$$$ Data

M. F.

C12H17NO

Suppliers	Catalog Number
Enamine	EN300-82756

Database	Data ID
PubChem	16790924

M. W.

191.26948

CAS

Similarity

N/A

ID: 277837

5-(2,3-difluorophenyl)-1,2,4-oxadiazole-3-carboxylic acid

$$$$ Data

M. F.

C9H4F2N2O3

Suppliers	Catalog Number
Enamine	EN300-82757

Database	Data ID
PubChem	54594767

M. W.

226.1364664

CAS

Similarity

N/A

ID: 277838

4-cyano-2-methylbenzene-1-sulfonyl chloride

$$$$ Data

M. F.

C8H6ClNO2S

Suppliers	Catalog Number
Enamine	EN300-82758

Database	Data ID
PubChem	54594768

M. W.

215.65674

CAS

Similarity

N/A

ID: 277839

5-amino-N-cyclopropyl-2-methoxybenzene-1-sulfonamide

$$$$ Data

M. F.

C10H14N2O3S

Suppliers	Catalog Number
Enamine	EN300-82759

Database	Data ID
PubChem	29277557

M. W.

242.29476

CAS

Similarity

N/A

ID: 277840

2-[2-(trifluoromethyl)phenyl]-1H-1,3-benzodiazole

$$$$ Data

M. F.

C14H9F3N2

Suppliers	Catalog Number
Enamine	EN300-82760

Database	Data ID
PubChem	43236450

M. W.

262.2298696

CAS

Similarity

N/A

ID: 277841

2-methoxypropanamide

$$$$ Data

M. F.

C4H9NO2

Suppliers	Catalog Number
Enamine	EN300-82761

Database	Data ID
PubChem	4227872

M. W.

103.11976

CAS

Similarity

N/A

ID: 277842

2-methyl-1-(4H-1,2,4-triazol-3-yl)propan-1-amine hydrochloride

$$$$ Data

M. F.

C6H13ClN4

Suppliers	Catalog Number
Enamine	EN300-82763

Database	Data ID
PubChem	54594769

M. W.

176.64722

CAS

Similarity

N/A

ID: 277843

3-amino-1-(trifluoromethyl)cyclopentan-1-ol hydrochloride

$$$$ Data

M. F.

C6H11ClF3NO

Suppliers	Catalog Number
Enamine	EN300-82765

Database	Data ID
PubChem	53621863

M. W.

205.6058496

CAS

Similarity

N/A

ID: 277844

7-{[(benzyloxy)carbonyl]amino}heptanoic acid

$$$$ Data

M. F.

C15H21NO4

Suppliers	Catalog Number
Enamine	EN300-82766

Database	Data ID
PubChem	13168324

M. W.

279.33154

CAS

Similarity

N/A

ID: 277845

N,1-dimethyl-1H-pyrazol-5-amine hydrochloride

$$$$ Data

M. F.

C5H10ClN3

Suppliers	Catalog Number
Enamine	EN300-82772

Database	Data ID
PubChem	54594770

M. W.

147.606

CAS

Similarity

N/A

ID: 277846

4-methyl-3-(3-methylbutoxy)aniline hydrochloride

$$$$ Data

M. F.

C12H20ClNO

Suppliers	Catalog Number
Enamine	EN300-82780

Database	Data ID
PubChem	53534846

M. W.

229.7463

CAS

Similarity

N/A

ID: 277847

3-(5-bromo-2-methoxyphenyl)propanoic acid

$$$$ Data

M. F.

C10H11BrO3

Suppliers	Catalog Number
Alfa Aesar	H33961
Enamine	EN300-82786

Database	Data ID
PubChem	22685184

M. W.

259.09654

CAS

82547-30-6

Similarity

N/A

ID: 277848

2-(2-chloroethoxy)benzamide

$$$$ Data

M. F.

C9H10ClNO2

Suppliers	Catalog Number
Enamine	EN300-82789

Database	Data ID
PubChem	3823137

M. W.

199.6342

CAS

Similarity

N/A

ID: 277849

N-ethyl-4-methyl-1,3-thiazol-2-amine

$$$$ Data

M. F.

C6H10N2S

Suppliers	Catalog Number
Enamine	EN300-82790

Database	Data ID
PubChem	23074121

M. W.

142.222

CAS

Similarity

N/A

ID: 277850

3-ethoxyspiro[3.4]octan-1-one

$$$$ Data

M. F.

C10H16O2

Suppliers	Catalog Number
Enamine	EN300-82792

Database	Data ID
PubChem	53621925

M. W.

168.23284

CAS

Similarity

N/A

Part I: Carbon
- I.1: Carbon-Carbon Bonds
- I.1.1 Alkanes
- Primary carbon
- Secondary carbon
- Tertiary carbon
- Quaternary carbon
- I.1.2 C-C double and Triple Bonds
- Alkene
- Alkyne
- Allene
- I.2: One Carbon-Hetero Bond
- I.2.1 Alkyl Halogenides
- Alkylchloride
- Alkylfluoride
- Alkylbromide
- Alkyliodide
- I.2.2 Alcohols and Ethers
- Alcohol
- Primary alcohol
- Secondary alcohol
- Tertiary alcohol
- Dialkylether
- Dialkylthioether
- Alkylarylether
- Diarylether
- Alkylarylthioether
- Diarylthioether
- Oxonium
- I.2.3 Amines
- Amine
- Primary aliphatic amine
- Secondary aliphatic amine
- Tertiary aliphatic amine
- Quaternary aliphatic ammonium
- Primary aromatic amine
- Secondary aromatic amine
- Tertiary aromatic amine
- Quaternary aromatic ammonium
- Secondary mixed amine
- Tertiary mixed amine
- Quaternary mixed ammonium
- Ammonium
- I.2.4 Others
- Alkylthiol
- Dialkylthioether
- Alkylarylthioether
- Disulfide
- 1,2-Aminoalcohol
- 1,2-Diol
- 1,1-Diol
- Hydroperoxide
- Peroxo
- Organolithium compounds
- Organomagnesium compounds
- Organometallic compounds
- I.3: Two Carbon-Hetero Bonds (Carbonyl and Derivatives)
- I.3.1 Double Bond to Hetero
- Aldehyde
- Ketone
- Thioaldehyde
- Thioketone
- Imine
- Immonium
- Oxime
- Oximether
- I.3.2. Two Single Bonds to Hetero
- Acetal
- Hemiacetal
- Aminal
- Hemiaminal
- Thioacetal
- Thiohemiacetal
- Halogen acetal like
- Acetal like
- Halogenmethylen ester and similar
- NOS methylen ester and similar
- Hetero methylen ester and similar
- Cyanhydrine
- I.3.3 Single Bond to Hetero, C=C Double Bond (Enols and Similar)
- Chloroalkene
- Fluoroalkene
- Bromoalkene
- Iodoalkene
- Enol
- Endiol
- Enolether
- Enolester
- Enamine
- Thioenol
- Thioenolether
- I.4: Three Carbon-Hetero Bonds (Carboxyl and Derivatives)
- Acylchloride
- Acylfluoride
- Acylbromide
- Acyliodide
- Acylhalide
- Carboxylic acid
- Carboxylic ester
- Lactone
- Carboxylic anhydride
- Carboxylic acid derivative
- Carbothioic acid
- Carbothioic S ester
- Carbothioic S lactone
- Carbothioic O ester
- Carbothioic O lactone
- Carbothioic halide
- Carbodithioic acid
- Carbodithioic ester
- Carbodithiolactone
- Amide
- Primary amide
- Secondary amide
- Tertiary amide
- Lactam
- Alkyl imide
- N hetero imide
- Imide acidic
- Thioamide
- Thiolactam
- Oximester
- Amidine
- Hydroxamic acid
- Hydroxamic acid ester
- Imidoacid
- Imidoacid cyclic
- Imidoester
- Imidolactone
- Imidothioacid
- Imidothioacid cyclic
- Imidothioester
- Imidothiolactone
- Amidine
- Imidolactam
- Imidoylhalide
- Imidoylhalide cyclic
- Amidrazone
- Alpha aminoacid
- Alpha hydroxyacid
- Peptide middle
- Peptide C term
- Peptide N term
- Carboxylic orthoester
- Ketene
- Ketenacetal
- Nitrile
- Isonitrile
- Vinylogous carbonyl or carboxyl derivative
- Vinylogous acid
- Vinylogous ester
- Vinylogous amide
- Vinylogous halide
- I.5: Four Carbon-Hetero Bonds (Carbonic Acid and Derivatives)
- Carbonic acid dieester
- Carbonic acid esterhalide
- Carbonic acid monoester
- Carbonic acid derivatives
- Thiocarbonic acid dieester
- Thiocarbonic acid esterhalide
- Thiocarbonic acid monoester
- Urea
- Thiourea
- Isourea
- Isothiourea
- Guanidine
- Carbaminic acid
- Urethan(Carbamate ester)
- Biuret
- Semicarbazide
- Carbazide
- Semicarbazone
- Carbazone
- Thiosemicarbazide
- Thiocarbazide
- Thiosemicarbazone
- Thiocarbazone
- Isocyanate
- Cyanate
- Isothiocyanate
- Thiocyanate
- Carbodiimide
- Orthocarbonic derivatives
- I.6 Aromatics
- Phenol
- 1,2-Diphenol
- Arylchloride
- Arylfluoride
- Arylbromide
- Aryliodide
- Arylthiol
- Iminoarene
- Oxoarene
- Thioarene
- Hetero N basic H
- Hetero N basic no H
- Hetero N nonbasic
- Hetero O
- Hetero S
- Heteroaromatic
Part II: N, S, P, Si, B
- II.1 Nitrogen
- Nitrite
- Thionitrite
- Nitrate
- Nitro
- Nitroso
- Azide
- Acylazide
- Diazo
- Diazonium
- Nitrosamine
- Nitrosamide
- N-Oxide
- Hydrazine
- Hydrazone
- Hydroxylamine
- II.2 Sulfur
- Sulfon
- Sulfoxide
- Sulfonium
- Sulfuric acid
- Sulfuric monoester
- Sulfuric diester
- Sulfuric monoamide
- Sulfuric diamide
- Sulfuric esteramide
- Sulfuric derivative
- Sulfonic acid
- Sulfonamide
- Sulfonic ester
- Sulfonic halide
- Sulfonic derivative
- Sulfinic acid
- Sulfinic amide
- Sulfinic ester
- Sulfinic halide
- Sulfinic derivative
- Sulfenic acid
- Sulfenic amide
- Sulfenic ester
- Sulfenic halide
- Sulfenic derivative
- II.3 Phosphorous
- Phosphine
- Phosphine oxide
- Phosphonium
- Phosphorylen
- Phosphonic acid
- Phosphonic monoester
- Phosphonic diester
- Phosphonic monoamide
- Phosphonic diamide
- Phosphonic esteramide
- Phosphonic acid derivative
- Phosphoric acid
- Phosphoric monoester
- Phosphoric diester
- Phosphoric triester
- Phosphoric monoamide
- Phosphoric diamide
- Phosphoric triamide
- Phosphoric monoestermonoamide
- Phosphoric diestermonoamide
- Phosphoric monoesterdiamide
- Phosphoric acid derivative
- Phosphinic acid
- Phosphinic ester
- Phosphinic amide
- Phosphinic acid derivative
- Phosphonous acid
- Phosphonous monoester
- Phosphonous diester
- Phosphonous monoamide
- Phosphonous diamide
- Phosphonous esteramide
- Phosphonous derivatives
- Phosphinous acid
- Phosphinous ester
- Phosphinous amide
- Phosphinous derivatives
- II.4 Silicon
- Quart silane
- Non-quart silane
- Silylmonohalide
- Het trialkylsilane
- Dihet dialkylsilane
- Trihet alkylsilane
- Silicic acid derivative
- II.5 Boron
- Trialkylborane
- Boric acid derivatives
- Boronic acid derivative
- Borohydride
- Quaternary boron
Part III: Some Special Patterns
- III.1 Chains
- III.2 Rings
- Aromatic
- Heterocyclic
- Epoxide
- NH aziridine
- Spiro
- Annelated rings
- Bridged rings
- III.3 Sugars and Nucleosides/Nucleotides, Steroids
- Sugar pattern 1
- Sugar pattern 2
- Sugar pattern combi
- Sugar pattern 2 reducing
- Sugar pattern 2 alpha
- Sugar pattern 2 beta
- III.4 Everything else...
- Conjugated double bond
- Conjugated tripple bond
- Cis double bond
- Trans double bond
- Mixed anhydrides
- Halogen on hetero
- Halogen multi subst
- Trifluoromethyl
- C ONS bond
- Charged
- Anion
- Kation
- Salt
- 1,3-Tautomerizable
- 1,5-Tautomerizable
- Rotatable bond
- Michael acceptor
- Dicarbodiazene
- CH-acidic
- CH-acidic strong
- Chiral center specified